SCHEMBL1101968

SCHEMBL1101968

CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.73
MEN1 O00255 8/20 0.73
KMT2A Q03164 8/20 0.73
ALDH1A1 P00352 6/20 0.73
MAPK1 P28482 4/20 0.73
NPC1 O15118 4/20 0.73
AKR1B1 P15121 1/20 0.73
CRHBP P24387 1/20 0.67
CRHR2 Q13324 1/20 0.67
TDP1 Q9NUW8 4/20 0.67
HTT P42858 4/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
POLB P06746 4/20 0.56
BLM P54132 2/20 0.56
RAB9A P51151 3/20 0.55
PTPN1 P18031 1/20 0.55
PSMD14 O00487 1/20 0.55
ALPG P10696 1/20 0.55
THRB P10828 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8211219 1.00 MAPT (0.73) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8211228 1.00 MAPT (0.73) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8211222 1.00 MAPT (0.73) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL14213566 0.85 MEN1 (0.71) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8205013 0.85 MAPT (0.54) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8205017 0.85 MAPT (0.54) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8205015 0.85 MAPT (0.54) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL10492259 0.84 MAPT (1.00) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL1315178 0.84 MAPT (1.00) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL24129903 0.83 CISD1 (0.67) MAPTMEN1KMT2AALDH1A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 MAPT 1883/4885MEN1 2329/4885KMT2A 3111/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 MAPT 1883/4885MEN1 2329/4885KMT2A 3111/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 MAPT 1883/4885MEN1 2329/4885KMT2A 3111/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 MAPT 1883/4885MEN1 2329/4885KMT2A 3111/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.